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CHEBI:166833 - dodeclonium

ChEBI IDCHEBI:166833
ChEBI Namedodeclonium
Stars
DefinitionAn aromatic ether that is 4-chlorophenol in which the hydroxy group is replaced by a 2-[dodecyl(dimethyl)azaniumyl]ethoxy group.
Last Modified12 November 2020
SubmitterAdnan
DownloadsMolfile
FormulaC22H39ClNO
Net Charge+1
Average Mass369.013
Monoisotopic Mass368.27147
SMILESCCCCCCCCCCCC[N+](C)(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C22H39ClNO/c1-4-5-6-7-8-9-10-11-12-13-18-24(2,3)19-20-25-22-16-14-21(23)15-17-22/h14-17H,4-13,18-20H2,1-3H3/q+1
InChIKeyDIQMZVPLKDZWFT-UHFFFAOYSA-N
Roles Classification
Application:
antiseptic drug  A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).
ChEBI Ontology
Outgoing Relation(s)
dodeclonium (CHEBI:166833) has role antiseptic drug (CHEBI:48218)
dodeclonium (CHEBI:166833) is a aromatic ether (CHEBI:35618)
dodeclonium (CHEBI:166833) is a monochlorobenzenes (CHEBI:83403)
dodeclonium (CHEBI:166833) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
dodeclonium bromide (CHEBI:135977) has part dodeclonium (CHEBI:166833)
IUPAC Name 
N-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyldodecan-1-aminium
Synonyms  Source
dodeclonium cationChemIDplus
dodeclonium ionChemIDplus
N-(2-(4-chlorophenoxy)ethyl)-N,N-dimethyl-1-dodecanaminiumChemIDplus
Registry NumbersSources
CAS:123247-90-5ChemIDplus